Geometry & MOs

Info

ID:	241144
PubChem CID:	96021511
Reduced:	NC14H21 (1)
Stoich.:	AB14C21 (1)
Weight, g/mol:	207.108171
ΔH_f, kcal/mol:	-9.12
Dipole, Da:	1.49
IP(EA), eV:	-8.65(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-6-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]ethanethiol

Drug info:

PubChemData

Smile

CC1=C2[C@H](NCCC2=CC=C1)C(C)(C)C

DOS

IR

Vibrations